N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C16H16N4O2 — CID 22514420

IUPACN-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C16H16N4O2/c1-12-18-20(16(22)14-8-5-9-19(12)14)11-15(21)17-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21)
InChIKeyKGCBVFWRYUDVGU-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.12
Rot. Bonds4

About N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514420) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514420
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C16H16N4O2/c1-12-18-20(16(22)14-8-5-9-19(12)14)11-15(21)17-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21)
InChIKeyKGCBVFWRYUDVGU-UHFFFAOYSA-N
XLogP1.12
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879958
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110289

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514420) is N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2cccn12.
What is the InChIKey of N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is KGCBVFWRYUDVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-18-20(16(22)14-8-5-9-19(12)14)11-15(21)17-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,17,21).
What are the key properties of N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).